UCSF

ZINC28182855

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 33 No

Popular Name: (2Z)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzofur (2Z)-2-[(1-ethylindol-3-yl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 7.26 -56.58 3 7 1 83 448.543 6 ↓
Mid Mid (pH 6-8) 2.78 7.89 -32.89 2 7 0 86 447.535 6 ↓
Mid Mid (pH 6-8) 2.78 4.93 -14.25 2 7 0 82 447.535 6 ↓
Mid Mid (pH 6-8) 2.78 5.57 -47.23 1 7 -1 85 446.527 6 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )